BDBM50085436 (4aR,5S,8R)-8-((E)-2,4-Dimethyl-oct-2-enoyloxy)-2,9a-dihydroxy-3,4a-dimethyl-2,3,3a,4,4a,5,6,7,8,9a-decahydro-naphtho[2,3-b]furan-5-carboxylic acid::CHEMBL77301

SMILES CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)CC3C(C)C(O)OC3(O)C=C12

InChI Key InChIKey=VUBFFVCJUJKTKT-FUCIXCELSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50085436   

TargetIntegrase(Human immunodeficiency virus 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50085436((4aR,5S,8R)-8-((E)-2,4-Dimethyl-oct-2-enoyloxy)-2,...)
Affinity DataIC50:  4.00E+4nMAssay Description:Inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed